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

Systemtic Name: 2-[[2-azanyl-4,6-bis[bis(phenylmethyl)amino]pyrimidin-5-yl]methylidene]propanedinitrile Openeye Name: 2-[[2-amino-4,6-bis(dibenzylamino)pyrimidin-5-yl]methylene]propanedinitrile CAS Name: 2-[[2-amino-4,6-bis[bis(phenylmethyl)amino]-5-pyrimidinyl]methylidene]propanedinitrile IUPAC Name: 2-[[2-amino-4,6-bis(dibenzylamino)pyrimidin-5-yl]methylidene]propanedinitrile Traditional Name: 2-[[2-amino-4,6-bis(dibenzylamino)pyrimidin-5-yl]methylene]malononitrile Formula: C36H31N7 MolecularWeight: 561.67824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC(=N3)N)N(CC4=CC=CC=C4)CC5=CC=CC=C5)C=C(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC(=N3)N)N(CC4=CC=CC=C4)CC5=CC=CC=C5)C=C(C#N)C#N

InChI

InChI=1S/C36H31N7/c37-22-32(23-38)21-33-34(42(24-28-13-5-1-6-14-28)25-29-15-7-2-8-16-29)40-36(39)41-35(33)43(26-30-17-9-3-10-18-30)27-31-19-11-4-12-20-31/h1-21H,24-27H2,(H2,39,40,41)