ethyl 2-[ethylcarbamoyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]ethanoate

Systemtic Name: ethyl 2-[ethylcarbamoyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]ethanoate Openeye Name: ethyl 2-[ethylcarbamoyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]acetate CAS Name: 2-[ethylcarbamoyl-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[ethylcarbamoyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]acetate Traditional Name: 2-[ethylcarbamoyl-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]acetic acid ethyl ester Formula: C26H29N7O3 MolecularWeight: 487.55356

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC(=O)OCC)C1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCNC(=O)N(CC(=O)OCC)C1=CC2=C(C=C1)N(C=N2)C3=NC(=NC=C3)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C26H29N7O3/c1-4-27-26(35)32(16-24(34)36-5-2)20-11-12-22-21(15-20)29-17-33(22)23-13-14-28-25(31-23)30-18(3)19-9-7-6-8-10-19/h6-15,17-18H,4-5,16H2,1-3H3,(H,27,35)(H,28,30,31)