[1-[3-[[2,4-bis(azanyl)pteridin-6-yl]methoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate

Systemtic Name: [1-[3-[[2,4-bis(azanyl)pteridin-6-yl]methoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carboxylate Openeye Name: [1-[3-[(2,4-diaminopteridin-6-yl)methoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carboxylate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarboxylic acid [1-[3-[(2,4-diamino-6-pteridinyl)methoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] ester IUPAC Name: [1-[3-[(2,4-diaminopteridin-6-yl)methoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pipecolinic acid [1-[3-[(2,4-diaminopteridin-6-yl)methoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] ester Formula: C37H45N7O7 MolecularWeight: 699.7959

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)OCC4=CN=C5C(=N4)C(=NC(=N5)N)N

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)OCC4=CN=C5C(=N4)C(=NC(=N5)N)N

InChI

InChI=1S/C37H45N7O7/c1-6-37(2,3)31(45)34(46)44-17-8-7-12-26(44)35(47)51-27(15-13-22-14-16-28(48-4)29(18-22)49-5)23-10-9-11-25(19-23)50-21-24-20-40-33-30(41-24)32(38)42-36(39)43-33/h9-11,14,16,18-20,26-27H,6-8,12-13,15,17,21H2,1-5H3,(H4,38,39,40,42,43)