5-[(7-chloranyl-10-methylsulfanyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(7-chloranyl-10-methylsulfanyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(7-chloro-10-methylsulfanyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[[7-chloro-10-(methylthio)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(7-chloro-10-methylsulfanyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[7-chloro-10-(methylthio)-3,4-dihydro-1H-pyrazin[1,2-a]indol-2-yl]methyl]pyrimidin-4-yl]amine Formula: C17H19ClN6S MolecularWeight: 374.89096

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2CN(CCN2C3=C1C=CC(=C3)Cl)CC4=CN=C(N=C4N)N

Isomeric SMILES

CSC1=C2CN(CCN2C3=C1C=CC(=C3)Cl)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C17H19ClN6S/c1-25-15-12-3-2-11(18)6-13(12)24-5-4-23(9-14(15)24)8-10-7-21-17(20)22-16(10)19/h2-3,6-7H,4-5,8-9H2,1H3,(H4,19,20,21,22)