2-azanyl-5-(3-bromophenyl)-1,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 2-azanyl-5-(3-bromophenyl)-1,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 2-amino-5-(3-bromophenyl)-1,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione CAS Name: 2-amino-5-(3-bromophenyl)-1,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 2-amino-5-(3-bromophenyl)-1,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 2-amino-5-(3-bromophenyl)-1,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-quinone Formula: C17H13BrN4O2 MolecularWeight: 385.21472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=C3C(=N2)NC(=NC3=O)N)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=C3C(=N2)NC(=NC3=O)N)C4=CC(=CC=C4)Br

InChI

InChI=1S/C17H13BrN4O2/c18-9-4-1-3-8(7-9)12-13-10(5-2-6-11(13)23)20-15-14(12)16(24)22-17(19)21-15/h1,3-4,7H,2,5-6H2,(H3,19,20,21,22,24)