ethyl 4-[[4-[[(7R)-7-ethyl-5-methyl-6-oxidanylidene-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-phenyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[[(7R)-7-ethyl-5-methyl-6-oxidanylidene-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-phenyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-anilino]piperidine-1-carboxylate CAS Name: 4-[4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxyanilino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxyanilino]piperidine-1-carboxylate Traditional Name: 4-[4-[[(7R)-7-ethyl-8-isopropyl-6-keto-5-methyl-7H-pteridin-2-yl]amino]-3-methoxy-anilino]piperidine-1-carboxylic acid ethyl ester Formula: C27H39N7O4 MolecularWeight: 525.64306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)NC4CCN(CC4)C(=O)OCC)OC)C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)NC4CCN(CC4)C(=O)OCC)OC)C

InChI

InChI=1S/C27H39N7O4/c1-7-21-25(35)32(5)22-16-28-26(31-24(22)34(21)17(3)4)30-20-10-9-19(15-23(20)37-6)29-18-11-13-33(14-12-18)27(36)38-8-2/h9-10,15-18,21,29H,7-8,11-14H2,1-6H3,(H,28,30,31)/t21-/m1/s1