1-[1-hydroxyethyl-[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-[(phenylmethyl)amino]pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol

Systemtic Name: 1-[1-hydroxyethyl-[4-(1-oxidanylidene-1,4-thiazinan-4-yl)-8-[(phenylmethyl)amino]pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol Openeye Name: 1-[[8-(benzylamino)-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(1-hydroxyethyl)amino]ethanol CAS Name: 1-[1-hydroxyethyl-[4-(1-oxo-1,4-thiazinan-4-yl)-8-[(phenylmethyl)amino]-2-pyrimido[5,4-d]pyrimidinyl]amino]ethanol IUPAC Name: 1-[[8-(benzylamino)-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(1-hydroxyethyl)amino]ethanol Traditional Name: 1-[[8-(benzylamino)-4-(1-keto-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(1-hydroxyethyl)amino]ethanol Formula: C21H27N7O3S MolecularWeight: 457.54918

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C1=NC2=C(C(=N1)N3CCS(=O)CC3)N=CN=C2NCC4=CC=CC=C4)C(C)O)O

Isomeric SMILES

CC(N(C1=NC2=C(C(=N1)N3CCS(=O)CC3)N=CN=C2NCC4=CC=CC=C4)C(C)O)O

InChI

InChI=1S/C21H27N7O3S/c1-14(29)28(15(2)30)21-25-17-18(20(26-21)27-8-10-32(31)11-9-27)23-13-24-19(17)22-12-16-6-4-3-5-7-16/h3-7,13-15,29-30H,8-12H2,1-2H3,(H,22,23,24)