7-cyclopropyl-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-cyclopropyl-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-cyclopropyl-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopropyl-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-methyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclopropyl-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-methyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-cyclopropyl-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)N4CCC5=CC=CC=C5C4)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C3CC3)SCC(=O)N4CCC5=CC=CC=C5C4)C(=O)N(C1=O)C

InChI

InChI=1S/C24H27N5O3S/c1-3-11-29-21-19(23(31)27(2)24(29)32)22(26-20(25-21)16-8-9-16)33-14-18(30)28-12-10-15-6-4-5-7-17(15)13-28/h4-7,16H,3,8-14H2,1-2H3