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

Systemtic Name: 2-[[6-(azepan-3-ylamino)-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[6-(azepan-3-ylamino)-3-methyl-2,4-dioxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[6-(3-azepanylamino)-3-methyl-2,4-dioxo-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[6-(azepan-3-ylamino)-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[6-(azepan-3-ylamino)-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)NC3CCCCNC3

Isomeric SMILES

CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)NC3CCCCNC3

InChI

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