methyl 3-azanyl-5-chloranyl-6-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrazine-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-chloranyl-6-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrazine-2-carboxylate Openeye Name: methyl 3-amino-5-chloro-6-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrazine-2-carboxylate CAS Name: 3-amino-5-chloro-6-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-chloro-6-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrazine-2-carboxylate Traditional Name: 3-amino-5-chloro-6-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]pyrazinic acid methyl ester Formula: C25H21ClN8O2 MolecularWeight: 500.93964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=C(N=C(C(=N5)C(=O)OC)N)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=C(N=C(C(=N5)C(=O)OC)N)Cl

InChI

InChI=1S/C25H21ClN8O2/c1-14(15-6-4-3-5-7-15)30-25-28-11-10-19(31-25)34-13-29-17-12-16(8-9-18(17)34)20-22(26)33-23(27)21(32-20)24(35)36-2/h3-14H,1-2H3,(H2,27,33)(H,28,30,31)