3-[[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-phenylmethoxy-pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-phenylmethoxy-pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-1-ol Openeye Name: 3-[[8-benzyloxy-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-1-ol CAS Name: 3-[[4-(1-oxo-1,4-thiazinan-4-yl)-8-phenylmethoxy-2-pyrimido[5,4-d]pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[4-(1-oxo-1,4-thiazinan-4-yl)-8-phenylmethoxypyrimido[5,4-d]pyrimidin-2-yl]amino]propan-1-ol Traditional Name: 3-[[8-benzoxy-4-(1-keto-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-1-ol Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)CCN1C2=NC(=NC3=C2N=CN=C3OCC4=CC=CC=C4)NCCCO

Isomeric SMILES

C1CS(=O)CCN1C2=NC(=NC3=C2N=CN=C3OCC4=CC=CC=C4)NCCCO

InChI

InChI=1S/C20H24N6O3S/c27-10-4-7-21-20-24-17-16(18(25-20)26-8-11-30(28)12-9-26)22-14-23-19(17)29-13-15-5-2-1-3-6-15/h1-3,5-6,14,27H,4,7-13H2,(H,21,24,25)