4-methoxy-2-[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl]sulfanyl-phenol

Systemtic Name: 4-methoxy-2-[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl]sulfanyl-phenol Openeye Name: 4-methoxy-2-[4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidin-8-yl]sulfanyl-phenol CAS Name: 4-methoxy-2-[[4-(1-oxo-1,4-thiazinan-4-yl)-2-(1-piperazinyl)-8-pyrimido[5,4-d]pyrimidinyl]thio]phenol IUPAC Name: 4-methoxy-2-[4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-yl]sulfanylphenol Traditional Name: 2-[[4-(1-keto-1,4-thiazinan-4-yl)-2-piperazino-pyrimido[5,4-d]pyrimidin-8-yl]thio]-4-methoxy-phenol Formula: C21H25N7O3S2 MolecularWeight: 487.5983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)SC2=NC=NC3=C2N=C(N=C3N4CCS(=O)CC4)N5CCNCC5

Isomeric SMILES

COC1=CC(=C(C=C1)O)SC2=NC=NC3=C2N=C(N=C3N4CCS(=O)CC4)N5CCNCC5

InChI

InChI=1S/C21H25N7O3S2/c1-31-14-2-3-15(29)16(12-14)32-20-18-17(23-13-24-20)19(27-8-10-33(30)11-9-27)26-21(25-18)28-6-4-22-5-7-28/h2-3,12-13,22,29H,4-11H2,1H3