tert-butyl N-[(2S)-2-[[6-(2-azanylbenzimidazol-1-yl)pyrimidin-4-yl]amino]-3-methyl-butyl]carbamate

Systemtic Name: tert-butyl N-[(2S)-2-[[6-(2-azanylbenzimidazol-1-yl)pyrimidin-4-yl]amino]-3-methyl-butyl]carbamate Openeye Name: tert-butyl N-[(2S)-2-[[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]amino]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-2-[[6-(2-amino-1-benzimidazolyl)-4-pyrimidinyl]amino]-3-methylbutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-2-[[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]amino]-3-methylbutyl]carbamate Traditional Name: N-[(2S)-2-[[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]amino]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C21H29N7O2 MolecularWeight: 411.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)OC(C)(C)C)NC1=NC=NC(=C1)N2C3=CC=CC=C3N=C2N

Isomeric SMILES

CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC1=NC=NC(=C1)N2C3=CC=CC=C3N=C2N

InChI

InChI=1S/C21H29N7O2/c1-13(2)15(11-23-20(29)30-21(3,4)5)26-17-10-18(25-12-24-17)28-16-9-7-6-8-14(16)27-19(28)22/h6-10,12-13,15H,11H2,1-5H3,(H2,22,27)(H,23,29)(H,24,25,26)/t15-/m1/s1