2-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]pyrimidin-4-yl]amine Formula: C16H16ClN5S MolecularWeight: 345.84974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NC(=CC(=N3)N)N)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=NC(=CC(=N3)N)N)Cl)C

InChI

InChI=1S/C16H16ClN5S/c1-8-3-4-10-5-11(15(17)22-14(10)9(8)2)7-23-16-20-12(18)6-13(19)21-16/h3-6H,7H2,1-2H3,(H4,18,19,20,21)