3-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-[2-(cyclohexen-1-yl)ethyl]amino]propanenitrile

Systemtic Name: 3-[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-[2-(cyclohexen-1-yl)ethyl]amino]propanenitrile Openeye Name: 3-[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-[2-(cyclohexen-1-yl)ethyl]amino]propanenitrile CAS Name: 3-[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-[2-(1-cyclohexenyl)ethyl]amino]propanenitrile IUPAC Name: 3-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-[2-(cyclohexen-1-yl)ethyl]amino]propanenitrile Traditional Name: 3-[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-[2-(cyclohexen-1-yl)ethyl]amino]propionitrile Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN(CCC#N)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(=CC1)CCN(CCC#N)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5O2/c23-13-7-14-26(15-12-17-8-3-1-4-9-17)19-20(24)27(22(29)25-21(19)28)16-18-10-5-2-6-11-18/h2,5-6,8,10-11H,1,3-4,7,9,12,14-16,24H2,(H,25,28,29)