4-methyl-9-thiophen-2-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione

Systemtic Name: 4-methyl-9-thiophen-2-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione Openeye Name: 4-methyl-9-(2-thienyl)-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione CAS Name: 4-methyl-9-thiophen-2-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione IUPAC Name: 4-methyl-9-thiophen-2-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione Traditional Name: 4-methyl-9-(2-thienyl)-9,10-dihydro-8H-pyrimid[4,5-c]isoquinoline-1,3,7-trione Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC=C3C(=C2C(=O)NC1=O)CC(CC3=O)C4=CC=CS4

Isomeric SMILES

CN1C2=NC=C3C(=C2C(=O)NC1=O)CC(CC3=O)C4=CC=CS4

InChI

InChI=1S/C16H13N3O3S/c1-19-14-13(15(21)18-16(19)22)9-5-8(12-3-2-4-23-12)6-11(20)10(9)7-17-14/h2-4,7-8H,5-6H2,1H3,(H,18,21,22)