4-azanyl-6-chloranyl-2-(phenylmethyl)pyrimidine-5-thiol

Systemtic Name: 4-azanyl-6-chloranyl-2-(phenylmethyl)pyrimidine-5-thiol Openeye Name: 4-amino-2-benzyl-6-chloro-pyrimidine-5-thiol CAS Name: 4-amino-6-chloro-2-(phenylmethyl)-5-pyrimidinethiol IUPAC Name: 4-amino-2-benzyl-6-chloropyrimidine-5-thiol Traditional Name: 4-amino-2-benzyl-6-chloro-pyrimidine-5-thiol Formula: C11H10ClN3S MolecularWeight: 251.7352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=C(C(=N2)Cl)S)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=C(C(=N2)Cl)S)N

InChI

InChI=1S/C11H10ClN3S/c12-10-9(16)11(13)15-8(14-10)6-7-4-2-1-3-5-7/h1-5,16H,6H2,(H2,13,14,15)