1,3-dimethyl-7-propan-2-yl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-propan-2-yl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-[(2E)-2-(4-pyridylmethylene)hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-7-propan-2-yl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-propan-2-yl-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 7-isopropyl-1,3-dimethyl-8-[(N'E)-N'-(4-pyridylmethylene)hydrazino]xanthine Formula: C16H19N7O2 MolecularWeight: 341.36776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NN=CC3=CC=NC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N/N=C/C3=CC=NC=C3)N(C(=O)N(C2=O)C)C

InChI

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