N-hexyl-8-methylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-hexyl-8-methylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-hexyl-8-methylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-hexyl-8-(methylthio)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-hexyl-8-methylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: hexyl-[8-(methylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C17H27N7S MolecularWeight: 361.50818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC(=NC2=C1N=CN=C2SC)N3CCNCC3

Isomeric SMILES

CCCCCCNC1=NC(=NC2=C1N=CN=C2SC)N3CCNCC3

InChI

InChI=1S/C17H27N7S/c1-3-4-5-6-7-19-15-13-14(16(25-2)21-12-20-13)22-17(23-15)24-10-8-18-9-11-24/h12,18H,3-11H2,1-2H3,(H,19,22,23)