**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Sildenafil metabolite 3

Properties Image MNX_ID MNXM1596322 reference vmhM:sdf_m3 vmhM:sdf_m3 formula C20H29N6O4S global charge 1 mol weight 449.557 InChIKey DBBKIQJKMPUJFA-UHFFFAOYSA-O InChI InChI=1S/C20H28N6O4S/c1-5-7-15-17-18(26(4)25-15)20(27)24-19(23-17)14-12-13(8-9-16(14)30-6-2)31(28,29)22-11-10-21-3/h8-9,12,21-22H,5-7,10-11H2,1-4H3,(H,23,24,27)/p+1 SMILES CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCC[NH2+]C)ccc3OCC)nc12 MNX internals InChI (mnx) InChI=1/C20H28N6O4S/c1-5-7-15-17-18(26(4)25-15)20(27)24-19(23-17)14-12-13(8-9-16(14)30-6-2)31(28,29)22-11-10-21-3/h8-9,12,21-22H,5-7,10-11H2,1-4H3,(H,23,24,27) SMILES (mnx) [CH3:1][CH2:5][CH2:7][c:15]1[c:17]2[c:18]([c:20](=[O:27])[nH:24][c:19](-[c:14]3[cH:12][c:13]([S:31]([NH:22][CH2:11][CH2:10][NH:21][CH3:3])(=[O:28])=[O:29])[cH:8][cH:9][c:16]3[O:30][CH2:6][CH3:2])[n:23]2)[n:26]([CH3:4])[n:25]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:sdf_m3 vmhM:sdf_m3 vmhmetabolite:sdf_m3 vmhmetabolite:sdf_m3 DBBKIQJKMPUJFA-UHFFFAOYSA-O	Sildenafil metabolite 3
vmhM:M_sdf_m3	secondary/obsolete/fantasy identifier