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

Systemtic Name: 4-(3-methylbutyl)-9-thiophen-2-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione Openeye Name: 4-isopentyl-9-(2-thienyl)-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione CAS Name: 4-(3-methylbutyl)-9-thiophen-2-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione IUPAC Name: 4-(3-methylbutyl)-9-thiophen-2-yl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione Traditional Name: 4-isoamyl-9-(2-thienyl)-9,10-dihydro-8H-pyrimid[4,5-c]isoquinoline-1,3,7-trione Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=NC=C3C(=C2C(=O)NC1=O)CC(CC3=O)C4=CC=CS4

Isomeric SMILES

CC(C)CCN1C2=NC=C3C(=C2C(=O)NC1=O)CC(CC3=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O3S/c1-11(2)5-6-23-18-17(19(25)22-20(23)26)13-8-12(16-4-3-7-27-16)9-15(24)14(13)10-21-18/h3-4,7,10-12H,5-6,8-9H2,1-2H3,(H,22,25,26)