9,9-dimethyl-3-(phenethylamino)-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione

Systemtic Name: 9,9-dimethyl-3-(phenethylamino)-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione Openeye Name: 9,9-dimethyl-3-(phenethylamino)-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione CAS Name: 9,9-dimethyl-3-(phenethylamino)-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione IUPAC Name: 9,9-dimethyl-3-(phenethylamino)-8,10-dihydro-4H-pyrimido[4,5-c]isoquinoline-1,7-dione Traditional Name: 9,9-dimethyl-3-(phenethylamino)-8,10-dihydro-4H-pyrimid[4,5-c]isoquinoline-1,7-quinone Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C3C(=NC=C2C(=O)C1)NC(=NC3=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C3C(=NC=C2C(=O)C1)NC(=NC3=O)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C21H22N4O2/c1-21(2)10-14-15(16(26)11-21)12-23-18-17(14)19(27)25-20(24-18)22-9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,22,23,24,25,27)