ethyl 2-[(2-chloranyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-3-(oxan-2-yl)propanoate

Systemtic Name: ethyl 2-[(2-chloranyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-3-(oxan-2-yl)propanoate Openeye Name: ethyl 2-[(2-chloro-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-3-tetrahydropyran-2-yl-propanoate CAS Name: 2-[[2-chloro-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-3-(2-oxanyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-6-pyrrol-1-ylpyrimidin-4-yl)amino]-3-(oxan-2-yl)propanoate Traditional Name: 2-[(2-chloro-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-3-tetrahydropyran-2-yl-propionic acid ethyl ester Formula: C18H23ClN4O3 MolecularWeight: 378.85322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1CCCCO1)NC2=NC(=NC(=C2)N3C=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C(CC1CCCCO1)NC2=NC(=NC(=C2)N3C=CC=C3)Cl

InChI

InChI=1S/C18H23ClN4O3/c1-2-25-17(24)14(11-13-7-3-6-10-26-13)20-15-12-16(22-18(19)21-15)23-8-4-5-9-23/h4-5,8-9,12-14H,2-3,6-7,10-11H2,1H3,(H,20,21,22)