methyl 4-[[2-azanyl-4-(phenylmethylsulfanyl)-7,8-dihydropteridin-6-yl]methyl-methyl-amino]benzoate

Systemtic Name: methyl 4-[[2-azanyl-4-(phenylmethylsulfanyl)-7,8-dihydropteridin-6-yl]methyl-methyl-amino]benzoate Openeye Name: methyl 4-[(2-amino-4-benzylsulfanyl-7,8-dihydropteridin-6-yl)methyl-methyl-amino]benzoate CAS Name: 4-[[2-amino-4-(phenylmethylthio)-7,8-dihydropteridin-6-yl]methyl-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-amino-4-benzylsulfanyl-7,8-dihydropteridin-6-yl)methyl-methylamino]benzoate Traditional Name: 4-[[2-amino-4-(benzylthio)-7,8-dihydropteridin-6-yl]methyl-methyl-amino]benzoic acid methyl ester Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=C(NC1)N=C(N=C2SCC3=CC=CC=C3)N)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN(CC1=NC2=C(NC1)N=C(N=C2SCC3=CC=CC=C3)N)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H24N6O2S/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/h3-11H,12-14H2,1-2H3,(H3,24,25,27,28)