1,3-dimethyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile

Systemtic Name: 1,3-dimethyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-2,6-bis(oxidanylidene)pyrimidine-5-carbonitrile Openeye Name: 1,3-dimethyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-2,6-dioxo-pyrimidine-5-carbonitrile CAS Name: 1,3-dimethyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-2,6-dioxo-5-pyrimidinecarbonitrile IUPAC Name: 1,3-dimethyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-2,6-dioxopyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-6-(4-mesyl-1,4-diazepan-1-yl)-1,3-dimethyl-pyrimidine-5-carbonitrile Formula: C13H19N5O4S MolecularWeight: 341.38606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H19N5O4S/c1-15-11(10(9-14)12(19)16(2)13(15)20)17-5-4-6-18(8-7-17)23(3,21)22/h4-8H2,1-3H3