3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-1H-thieno[3,2-d]pyrimidine-2,4-quinone Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=C(C=CS4)NC3=O

InChI

InChI=1S/C19H19N3O3S/c23-16(21-10-7-13-4-1-2-5-14(13)12-21)6-3-9-22-18(24)17-15(8-11-26-17)20-19(22)25/h1-2,4-5,8,11H,3,6-7,9-10,12H2,(H,20,25)