2-[[2-azanyl-4,6-bis[methyl-(phenylmethyl)amino]pyrimidin-5-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[2-azanyl-4,6-bis[methyl-(phenylmethyl)amino]pyrimidin-5-yl]methylidene]propanedinitrile Openeye Name: 2-[[2-amino-4,6-bis[benzyl(methyl)amino]pyrimidin-5-yl]methylene]propanedinitrile CAS Name: 2-[[2-amino-4,6-bis[methyl-(phenylmethyl)amino]-5-pyrimidinyl]methylidene]propanedinitrile IUPAC Name: 2-[[2-amino-4,6-bis[benzyl(methyl)amino]pyrimidin-5-yl]methylidene]propanedinitrile Traditional Name: 2-[[2-amino-4,6-bis[benzyl(methyl)amino]pyrimidin-5-yl]methylene]malononitrile Formula: C24H23N7 MolecularWeight: 409.48632

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C(=NC(=N2)N)N(C)CC3=CC=CC=C3)C=C(C#N)C#N

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C(=NC(=N2)N)N(C)CC3=CC=CC=C3)C=C(C#N)C#N

InChI

InChI=1S/C24H23N7/c1-30(16-18-9-5-3-6-10-18)22-21(13-20(14-25)15-26)23(29-24(27)28-22)31(2)17-19-11-7-4-8-12-19/h3-13H,16-17H2,1-2H3,(H2,27,28,29)