2-[[6-(3-azanylazepan-1-yl)-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[6-(3-azanylazepan-1-yl)-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[6-(3-aminoazepan-1-yl)-3-methyl-2,4-dioxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[6-(3-amino-1-azepanyl)-3-methyl-2,4-dioxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[6-(3-aminoazepan-1-yl)-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[6-(3-aminoazepan-1-yl)-2,4-diketo-3-methyl-pyrimidin-1-yl]methyl]benzonitrile Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCCC(C3)N

Isomeric SMILES

CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCCC(C3)N

InChI

InChI=1S/C19H23N5O2/c1-22-18(25)10-17(23-9-5-4-8-16(21)13-23)24(19(22)26)12-15-7-3-2-6-14(15)11-20/h2-3,6-7,10,16H,4-5,8-9,12-13,21H2,1H3