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

Systemtic Name: N-methyl-8-methylsulfanyl-N-phenyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-methyl-8-methylsulfanyl-N-phenyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-methyl-8-(methylthio)-N-phenyl-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-methyl-8-methylsulfanyl-N-phenyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: methyl-[8-(methylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]-phenyl-amine Formula: C18H21N7S MolecularWeight: 367.47124

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=NC3=C2N=CN=C3SC)N4CCNCC4

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=NC3=C2N=CN=C3SC)N4CCNCC4

InChI

InChI=1S/C18H21N7S/c1-24(13-6-4-3-5-7-13)16-14-15(17(26-2)21-12-20-14)22-18(23-16)25-10-8-19-9-11-25/h3-7,12,19H,8-11H2,1-2H3