1,3-dimethyl-7-(2-methylpropyl)-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylpropyl)-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isobutyl-1,3-dimethyl-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(2-methylpropyl)-5-(prop-2-ynylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(2-methylpropyl)-5-prop-2-ynylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isobutyl-1,3-dimethyl-5-(propargylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=C(C(=N1)SCC#C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CC1=NC2=C(C(=N1)SCC#C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C15H18N4O2S/c1-6-7-22-13-11-12(16-10(17-13)8-9(2)3)18(4)15(21)19(5)14(11)20/h1,9H,7-8H2,2-5H3