4-[5-[[(5E)-2-azanyl-6-oxidanylidene-5-(phenylhydrazinylidene)pyrimidin-4-yl]amino]-4-oxidanylidene-pentyl]benzenecarbonitrile

Systemtic Name: 4-[5-[[(5E)-2-azanyl-6-oxidanylidene-5-(phenylhydrazinylidene)pyrimidin-4-yl]amino]-4-oxidanylidene-pentyl]benzenecarbonitrile Openeye Name: 4-[5-[[(5E)-2-amino-6-oxo-5-(phenylhydrazono)pyrimidin-4-yl]amino]-4-oxo-pentyl]benzonitrile CAS Name: 4-[5-[[(5E)-2-amino-6-oxo-5-(phenylhydrazinylidene)-4-pyrimidinyl]amino]-4-oxopentyl]benzonitrile IUPAC Name: 4-[5-[[(5E)-2-amino-6-oxo-5-(phenylhydrazinylidene)pyrimidin-4-yl]amino]-4-oxopentyl]benzonitrile Traditional Name: 4-[5-[[(5E)-2-amino-6-keto-5-(phenylhydrazono)pyrimidin-4-yl]amino]-4-keto-pentyl]benzonitrile Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=NC(=NC2=O)N)NCC(=O)CCCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)N/N=C/2\C(=NC(=NC2=O)N)NCC(=O)CCCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N7O2/c23-13-16-11-9-15(10-12-16)5-4-8-18(30)14-25-20-19(21(31)27-22(24)26-20)29-28-17-6-2-1-3-7-17/h1-3,6-7,9-12,28H,4-5,8,14H2,(H3,24,25,26,27,31)/b29-19+