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

Systemtic Name: N-methyl-8-methylsulfanyl-N-(phenylmethyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-benzyl-N-methyl-8-methylsulfanyl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-methyl-8-(methylthio)-N-(phenylmethyl)-2-(1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-benzyl-N-methyl-8-methylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: benzyl-methyl-[8-(methylthio)-2-piperazino-pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C19H23N7S MolecularWeight: 381.49782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC(=NC3=C2N=CN=C3SC)N4CCNCC4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC(=NC3=C2N=CN=C3SC)N4CCNCC4

InChI

InChI=1S/C19H23N7S/c1-25(12-14-6-4-3-5-7-14)17-15-16(18(27-2)22-13-21-15)23-19(24-17)26-10-8-20-9-11-26/h3-7,13,20H,8-12H2,1-2H3