7-tert-butyl-3-methyl-5-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-tert-butyl-3-methyl-5-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-tert-butyl-3-methyl-5-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-tert-butyl-3-methyl-5-[[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]thio]-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-tert-butyl-3-methyl-5-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanyl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-tert-butyl-5-[[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]thio]-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C24H28N6O3S MolecularWeight: 480.58252

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)(C)C)SC(C)C3=NC(=O)C4=CC=CC=C4N3)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)(C)C)S[C@H](C)C3=NC(=O)C4=CC=CC=C4N3)C(=O)N(C1=O)C

InChI

InChI=1S/C24H28N6O3S/c1-7-12-30-18-16(21(32)29(6)23(30)33)20(28-22(27-18)24(3,4)5)34-13(2)17-25-15-11-9-8-10-14(15)19(31)26-17/h8-11,13H,7,12H2,1-6H3,(H,25,26,31)/t13-/m1/s1