ethyl 5-azanyl-2-methylsulfanyl-4-(3-nitrophenyl)-7,8-dihydroquinazoline-6-carboxylate

Systemtic Name: ethyl 5-azanyl-2-methylsulfanyl-4-(3-nitrophenyl)-7,8-dihydroquinazoline-6-carboxylate Openeye Name: ethyl 5-amino-2-methylsulfanyl-4-(3-nitrophenyl)-7,8-dihydroquinazoline-6-carboxylate CAS Name: 5-amino-2-(methylthio)-4-(3-nitrophenyl)-7,8-dihydroquinazoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-methylsulfanyl-4-(3-nitrophenyl)-7,8-dihydroquinazoline-6-carboxylate Traditional Name: 5-amino-2-(methylthio)-4-(3-nitrophenyl)-7,8-dihydroquinazoline-6-carboxylic acid ethyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2CC1)SC)C3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2CC1)SC)C3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H18N4O4S/c1-3-26-17(23)12-7-8-13-14(15(12)19)16(21-18(20-13)27-2)10-5-4-6-11(9-10)22(24)25/h4-6,9H,3,7-8,19H2,1-2H3