3-azanyl-9-thiophen-2-yl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione

Systemtic Name: 3-azanyl-9-thiophen-2-yl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione Openeye Name: 3-amino-9-(2-thienyl)-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione CAS Name: 3-amino-9-thiophen-2-yl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione IUPAC Name: 3-amino-9-thiophen-2-yl-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione Traditional Name: 3-amino-9-(2-thienyl)-4,8,9,10-tetrahydropyrimid[4,5-c]isoquinoline-1,7-quinone Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=CN=C3C(=C21)C(=O)N=C(N3)N)C4=CC=CS4

Isomeric SMILES

C1C(CC(=O)C2=CN=C3C(=C21)C(=O)N=C(N3)N)C4=CC=CS4

InChI

InChI=1S/C15H12N4O2S/c16-15-18-13-12(14(21)19-15)8-4-7(11-2-1-3-22-11)5-10(20)9(8)6-17-13/h1-3,6-7H,4-5H2,(H3,16,17,18,19,21)