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

Systemtic Name: 2-[[8-(furan-2-ylmethylamino)-4-(1-oxidanylidene-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol Openeye Name: 2-[[8-(2-furylmethylamino)-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol CAS Name: 2-[[8-(2-furanylmethylamino)-4-(1-oxo-1,4-thiazinan-4-yl)-2-pyrimido[5,4-d]pyrimidinyl]amino]ethanol IUPAC Name: 2-[[8-(furan-2-ylmethylamino)-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol Traditional Name: 2-[[8-(2-furfurylamino)-4-(1-keto-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol Formula: C17H21N7O3S MolecularWeight: 403.45874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)CCN1C2=NC(=NC3=C2N=CN=C3NCC4=CC=CO4)NCCO

Isomeric SMILES

C1CS(=O)CCN1C2=NC(=NC3=C2N=CN=C3NCC4=CC=CO4)NCCO

InChI

InChI=1S/C17H21N7O3S/c25-6-3-18-17-22-13-14(16(23-17)24-4-8-28(26)9-5-24)20-11-21-15(13)19-10-12-2-1-7-27-12/h1-2,7,11,25H,3-6,8-10H2,(H,18,22,23)(H,19,20,21)