1,3-dimethyl-2,4-bis(oxidanylidene)-6-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 1,3-dimethyl-2,4-bis(oxidanylidene)-6-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]pyrimidine-5-carbonitrile Openeye Name: 4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbonitrile CAS Name: 1,3-dimethyl-2,4-dioxo-6-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile Traditional Name: 4-(4-benzyl-1,4-diazepan-4-ium-1-yl)-2,6-diketo-1,3-dimethyl-pyrimidine-5-carbonitrile Formula: C19H24N5O2+ MolecularWeight: 354.42616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C#N)N2CCC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O2/c1-21-17(16(13-20)18(25)22(2)19(21)26)24-10-6-9-23(11-12-24)14-15-7-4-3-5-8-15/h3-5,7-8H,6,9-12,14H2,1-2H3/p+1