6-[(5,6-dimethyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(5,6-dimethyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one CAS Name: 6-[[5,6-dimethyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]amino]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4H-1,4-benzoxazin-3-one Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)OCC(=O)N4)C5=CN=CC=C5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)OCC(=O)N4)C5=CN=CC=C5)C

InChI

InChI=1S/C21H17N5O2S/c1-11-12(2)29-21-18(11)20(25-19(26-21)13-4-3-7-22-9-13)23-14-5-6-16-15(8-14)24-17(27)10-28-16/h3-9H,10H2,1-2H3,(H,24,27)(H,23,25,26)