3,7-dimethyl-1-(2-methylpropyl)-5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 3,7-dimethyl-1-(2-methylpropyl)-5-(2-pyridin-3-ylquinazolin-4-yl)sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-isobutyl-3,7-dimethyl-5-[2-(3-pyridyl)quinazolin-4-yl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3,7-dimethyl-1-(2-methylpropyl)-5-[[2-(3-pyridinyl)-4-quinazolinyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3,7-dimethyl-1-(2-methylpropyl)-5-(2-pyridin-3-ylquinazolin-4-yl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-isobutyl-3,7-dimethyl-5-[[2-(3-pyridyl)quinazolin-4-yl]thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C25H23N7O2S MolecularWeight: 485.56082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)SC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)C(=O)N(C(=O)N2CC(C)C)C

InChI

InChI=1S/C25H23N7O2S/c1-14(2)13-32-21-19(24(33)31(4)25(32)34)23(28-15(3)27-21)35-22-17-9-5-6-10-18(17)29-20(30-22)16-8-7-11-26-12-16/h5-12,14H,13H2,1-4H3