4-[3-[5-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]propylamino]-1-pyridin-2-yl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[3-[5-methyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]propylamino]-1-pyridin-2-yl-cyclohexane-1-carbonitrile Openeye Name: 4-[3-(3-benzyl-5-methyl-2,6-dioxo-pyrimidin-1-yl)propylamino]-1-(2-pyridyl)cyclohexanecarbonitrile CAS Name: 4-[3-[5-methyl-2,6-dioxo-3-(phenylmethyl)-1-pyrimidinyl]propylamino]-1-(2-pyridinyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[3-(3-benzyl-5-methyl-2,6-dioxopyrimidin-1-yl)propylamino]-1-pyridin-2-ylcyclohexane-1-carbonitrile Traditional Name: 4-[3-(3-benzyl-2,6-diketo-5-methyl-pyrimidin-1-yl)propylamino]-1-(2-pyridyl)cyclohexanecarbonitrile Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N(C1=O)CCCNC2CCC(CC2)(C#N)C3=CC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CN(C(=O)N(C1=O)CCCNC2CCC(CC2)(C#N)C3=CC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N5O2/c1-21-18-31(19-22-8-3-2-4-9-22)26(34)32(25(21)33)17-7-16-29-23-11-13-27(20-28,14-12-23)24-10-5-6-15-30-24/h2-6,8-10,15,18,23,29H,7,11-14,16-17,19H2,1H3