2-(4-morpholin-4-yl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl)sulfanylaniline

Systemtic Name: 2-(4-morpholin-4-yl-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl)sulfanylaniline Openeye Name: 2-(4-morpholino-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl)sulfanylaniline CAS Name: 2-[[4-(4-morpholinyl)-2-(1-piperazinyl)-8-pyrimido[5,4-d]pyrimidinyl]thio]aniline IUPAC Name: 2-(4-morpholin-4-yl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-yl)sulfanylaniline Traditional Name: [2-[(4-morpholino-2-piperazino-pyrimido[5,4-d]pyrimidin-8-yl)thio]phenyl]amine Formula: C20H24N8OS MolecularWeight: 424.52256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SC5=CC=CC=C5N

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SC5=CC=CC=C5N

InChI

InChI=1S/C20H24N8OS/c21-14-3-1-2-4-15(14)30-19-17-16(23-13-24-19)18(27-9-11-29-12-10-27)26-20(25-17)28-7-5-22-6-8-28/h1-4,13,22H,5-12,21H2