1,3-dimethyl-7-propyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-propyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-propyl-8-[(2E)-2-(3-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-7-propyl-8-[(2E)-2-(3-pyridinylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-propyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-propyl-8-[(N'E)-N'-(3-pyridylmethylene)hydrazino]xanthine Formula: C16H19N7O2 MolecularWeight: 341.36776

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NN=CC3=CN=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1N/N=C/C3=CN=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H19N7O2/c1-4-8-23-12-13(21(2)16(25)22(3)14(12)24)19-15(23)20-18-10-11-6-5-7-17-9-11/h5-7,9-10H,4,8H2,1-3H3,(H,19,20)/b18-10+