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

Systemtic Name: 5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-methyl-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-7-isopropyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-7-isopropyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SC(C)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SC(C)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N(C1=O)C

InChI

InChI=1S/C25H31N5O3S/c1-6-12-30-21-19(24(32)28(5)25(30)33)22(27-20(26-21)15(2)3)34-16(4)23(31)29-13-11-17-9-7-8-10-18(17)14-29/h7-10,15-16H,6,11-14H2,1-5H3