methyl 4-[[2-azanyl-4-(phenylmethylsulfanyl)pteridin-6-yl]methyl-methyl-amino]benzoate

Systemtic Name: methyl 4-[[2-azanyl-4-(phenylmethylsulfanyl)pteridin-6-yl]methyl-methyl-amino]benzoate Openeye Name: methyl 4-[(2-amino-4-benzylsulfanyl-pteridin-6-yl)methyl-methyl-amino]benzoate CAS Name: 4-[[2-amino-4-(phenylmethylthio)-6-pteridinyl]methyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-amino-4-benzylsulfanylpteridin-6-yl)methyl-methylamino]benzoate Traditional Name: 4-[[2-amino-4-(benzylthio)pteridin-6-yl]methyl-methyl-amino]benzoic acid methyl ester Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)SCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)SCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H22N6O2S/c1-29(18-10-8-16(9-11-18)22(30)31-2)13-17-12-25-20-19(26-17)21(28-23(24)27-20)32-14-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H2,24,25,27,28)