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

Systemtic Name: 4-(3-methylbutyl)-9-phenyl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione Openeye Name: 4-isopentyl-9-phenyl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione CAS Name: 4-(3-methylbutyl)-9-phenyl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione IUPAC Name: 4-(3-methylbutyl)-9-phenyl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione Traditional Name: 4-isoamyl-9-phenyl-9,10-dihydro-8H-pyrimid[4,5-c]isoquinoline-1,3,7-trione Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-13(2)8-9-25-20-19(21(27)24-22(25)28)16-10-15(14-6-4-3-5-7-14)11-18(26)17(16)12-23-20/h3-7,12-13,15H,8-11H2,1-2H3,(H,24,27,28)