4-(azepan-1-yl)-8-methylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-8-methylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-8-methylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidine CAS Name: 4-(1-azepanyl)-8-(methylthio)-2-(1-piperazinyl)pyrimido[5,4-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-8-methylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-8-(methylthio)-2-piperazino-pyrimido[5,4-d]pyrimidine Formula: C17H25N7S MolecularWeight: 359.4923

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=C(N=C2N3CCCCCC3)N4CCNCC4

Isomeric SMILES

CSC1=NC=NC2=C1N=C(N=C2N3CCCCCC3)N4CCNCC4

InChI

InChI=1S/C17H25N7S/c1-25-16-14-13(19-12-20-16)15(23-8-4-2-3-5-9-23)22-17(21-14)24-10-6-18-7-11-24/h12,18H,2-11H2,1H3