4-[(Z)-diazanyl-[9-(phenylmethyl)-1H-purin-6-ylidene]methyl]cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-[(Z)-diazanyl-[9-(phenylmethyl)-1H-purin-6-ylidene]methyl]cyclohexa-3,5-diene-1,2-dione Openeye Name: 4-[(Z)-(9-benzyl-1H-purin-6-ylidene)-hydrazino-methyl]-1,2-benzoquinone CAS Name: 4-[(Z)-hydrazinyl-[9-(phenylmethyl)-1H-purin-6-ylidene]methyl]cyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-[(Z)-(9-benzyl-1H-purin-6-ylidene)-hydrazinylmethyl]cyclohexa-3,5-diene-1,2-dione Traditional Name: 4-[(Z)-(9-benzyl-1H-purin-6-ylidene)-hydrazino-methyl]-o-benzoquinone Formula: C19H16N6O2 MolecularWeight: 360.36934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CNC3=C(C4=CC(=O)C(=O)C=C4)NN

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC\3=C2N=CN/C3=C(/C4=CC(=O)C(=O)C=C4)\NN

InChI

InChI=1S/C19H16N6O2/c20-24-16(13-6-7-14(26)15(27)8-13)17-18-19(22-10-21-17)25(11-23-18)9-12-4-2-1-3-5-12/h1-8,10-11,24H,9,20H2,(H,21,22)/b17-16-