2-[7-tert-butyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenyl-butanamide

Systemtic Name: 2-[7-tert-butyl-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-phenyl-butanamide Openeye Name: 2-(7-tert-butyl-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenyl-butanamide CAS Name: 2-[(7-tert-butyl-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl)thio]-N-phenylbutanamide IUPAC Name: 2-(7-tert-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-phenylbutanamide Traditional Name: 2-[(7-tert-butyl-2,4-diketo-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl)thio]-N-phenyl-butyramide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C(C)(C)C

InChI

InChI=1S/C22H27N5O3S/c1-7-14(17(28)23-13-11-9-8-10-12-13)31-18-15-16(24-20(25-18)22(2,3)4)26(5)21(30)27(6)19(15)29/h8-12,14H,7H2,1-6H3,(H,23,28)