7-butyl-1,3-dimethyl-5-[(1R)-1-phenylethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-butyl-1,3-dimethyl-5-[(1R)-1-phenylethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-butyl-1,3-dimethyl-5-[(1R)-1-phenylethyl]sulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-butyl-1,3-dimethyl-5-[[(1R)-1-phenylethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-butyl-1,3-dimethyl-5-[(1R)-1-phenylethyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-butyl-1,3-dimethyl-5-[[(1R)-1-phenylethyl]thio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)SC(C)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)S[C@H](C)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H24N4O2S/c1-5-6-12-15-21-17-16(19(25)24(4)20(26)23(17)3)18(22-15)27-13(2)14-10-8-7-9-11-14/h7-11,13H,5-6,12H2,1-4H3/t13-/m1/s1