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

Systemtic Name: 7-cyclopentyl-1,3-dimethyl-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-cyclopentyl-1,3-dimethyl-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-cyclopentyl-1,3-dimethyl-5-(prop-2-ynylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-cyclopentyl-1,3-dimethyl-5-prop-2-ynylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-cyclopentyl-1,3-dimethyl-5-(propargylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC#C)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3)SCC#C)C(=O)N(C1=O)C

InChI

InChI=1S/C16H18N4O2S/c1-4-9-23-14-11-13(19(2)16(22)20(3)15(11)21)17-12(18-14)10-7-5-6-8-10/h1,10H,5-9H2,2-3H3