2-[(3-chloranyl-4-methyl-phenyl)amino]-3,7-dihydropurin-6-one

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)amino]-3,7-dihydropurin-6-one Openeye Name: 2-(3-chloro-4-methyl-anilino)-3,7-dihydropurin-6-one CAS Name: 2-(3-chloro-4-methylanilino)-3,7-dihydropurin-6-one IUPAC Name: 2-(3-chloro-4-methylanilino)-3,7-dihydropurin-6-one Traditional Name: 2-(3-chloro-4-methyl-anilino)-3,7-dihydropurin-6-one Formula: C12H10ClN5O MolecularWeight: 275.6937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3)Cl

InChI

InChI=1S/C12H10ClN5O/c1-6-2-3-7(4-8(6)13)16-12-17-10-9(11(19)18-12)14-5-15-10/h2-5H,1H3,(H3,14,15,16,17,18,19)