8-[1-[(2-aminophenyl)amino]prop-2-ynylidene]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[1-[(2-aminophenyl)amino]prop-2-ynylidene]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[1-(2-aminoanilino)prop-2-ynylidene]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[1-(2-aminoanilino)prop-2-ynylidene]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[1-(2-aminoanilino)prop-2-ynylidene]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[1-(2-aminoanilino)prop-2-ynylidene]-1,3-dimethyl-xanthine Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=C(C#C)NC3=CC=CC=C3N)N=C2C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=NC(=C(C#C)NC3=CC=CC=C3N)N=C2C(=O)N(C1=O)C

InChI

InChI=1S/C16H14N6O2/c1-4-10(18-11-8-6-5-7-9(11)17)13-19-12-14(20-13)21(2)16(24)22(3)15(12)23/h1,5-8,18H,17H2,2-3H3