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

Systemtic Name: 1,3-dimethyl-7-(3-methylphenyl)-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-(m-tolyl)-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(3-methylphenyl)-5-(prop-2-ynylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(3-methylphenyl)-5-prop-2-ynylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-(m-tolyl)-5-(propargylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C(=N2)SCC#C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C(=N2)SCC#C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H16N4O2S/c1-5-9-25-16-13-15(21(3)18(24)22(4)17(13)23)19-14(20-16)12-8-6-7-11(2)10-12/h1,6-8,10H,9H2,2-4H3