2-[(4-aminophenyl)methylsulfanyl]-6-(phenylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-olate

Systemtic Name: 2-[(4-aminophenyl)methylsulfanyl]-6-(phenylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-olate Openeye Name: 2-[(4-aminophenyl)methylsulfanyl]-6-benzyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-olate CAS Name: 2-[(4-aminophenyl)methylthio]-6-(phenylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-olate IUPAC Name: 2-[(4-aminophenyl)methylsulfanyl]-6-benzyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-olate Traditional Name: 2-[(4-aminobenzyl)thio]-6-benzyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-olate Formula: C21H21N4OS- MolecularWeight: 377.48264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1N=C(N=C2[O-])SCC3=CC=C(C=C3)N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1N=C(N=C2[O-])SCC3=CC=C(C=C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c22-17-8-6-16(7-9-17)14-27-21-23-19-10-11-25(13-18(19)20(26)24-21)12-15-4-2-1-3-5-15/h1-9H,10-14,22H2,(H,23,24,26)/p-1