ethyl 2-(7-morpholin-4-yl-4-phenylazanyl-pyrimido[4,5-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(7-morpholin-4-yl-4-phenylazanyl-pyrimido[4,5-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(4-anilino-7-morpholino-pyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-anilino-7-(4-morpholinyl)-2-pyrimido[4,5-d]pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-anilino-7-morpholin-4-ylpyrimido[4,5-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-anilino-7-morpholino-pyrimido[4,5-d]pyrimidin-2-yl)thio]acetic acid ethyl ester Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=NC(=NC=C2C(=N1)NC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CCOC(=O)CSC1=NC2=NC(=NC=C2C(=N1)NC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C20H22N6O3S/c1-2-29-16(27)13-30-20-24-17(22-14-6-4-3-5-7-14)15-12-21-19(23-18(15)25-20)26-8-10-28-11-9-26/h3-7,12H,2,8-11,13H2,1H3,(H,21,22,23,24,25)