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

Systemtic Name: 9-(furan-2-yl)-4-pentyl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione Openeye Name: 9-(2-furyl)-4-pentyl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione CAS Name: 9-(2-furanyl)-4-pentyl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione IUPAC Name: 9-(furan-2-yl)-4-pentyl-9,10-dihydro-8H-pyrimido[4,5-c]isoquinoline-1,3,7-trione Traditional Name: 4-amyl-9-(2-furyl)-9,10-dihydro-8H-pyrimid[4,5-c]isoquinoline-1,3,7-trione Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=NC=C3C(=C2C(=O)NC1=O)CC(CC3=O)C4=CC=CO4

Isomeric SMILES

CCCCCN1C2=NC=C3C(=C2C(=O)NC1=O)CC(CC3=O)C4=CC=CO4

InChI

InChI=1S/C20H21N3O4/c1-2-3-4-7-23-18-17(19(25)22-20(23)26)13-9-12(16-6-5-8-27-16)10-15(24)14(13)11-21-18/h5-6,8,11-12H,2-4,7,9-10H2,1H3,(H,22,25,26)