2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine CAS Name: 2-[(4-nitrophenyl)methylthio]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine Traditional Name: [2-[(4-nitrobenzyl)thio]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-yl]amine Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C3C(=NC(=NC3=N2)SCC4=CC=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

C1CCC2=C(C1)C=C3C(=NC(=NC3=N2)SCC4=CC=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C18H17N5O2S/c19-16-14-9-12-3-1-2-4-15(12)20-17(14)22-18(21-16)26-10-11-5-7-13(8-6-11)23(24)25/h5-9H,1-4,10H2,(H2,19,20,21,22)