tert-butyl N-[3-[(6-aminocarbonyl-9H-pyrimido[4,5-b]indol-4-yl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(6-aminocarbonyl-9H-pyrimido[4,5-b]indol-4-yl)amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[(6-carbamoyl-9H-pyrimido[4,5-b]indol-4-yl)amino]propyl]carbamate CAS Name: N-[3-[(6-carbamoyl-9H-pyrimido[4,5-b]indol-4-yl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(6-carbamoyl-9H-pyrimido[4,5-b]indol-4-yl)amino]propyl]carbamate Traditional Name: N-[3-[(6-carbamoyl-9H-pyrimid[4,5-b]indol-4-yl)amino]propyl]carbamic acid tert-butyl ester Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNC1=NC=NC2=C1C3=C(N2)C=CC(=C3)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC1=NC=NC2=C1C3=C(N2)C=CC(=C3)C(=O)N

InChI

InChI=1S/C19H24N6O3/c1-19(2,3)28-18(27)22-8-4-7-21-16-14-12-9-11(15(20)26)5-6-13(12)25-17(14)24-10-23-16/h5-6,9-10H,4,7-8H2,1-3H3,(H2,20,26)(H,22,27)(H2,21,23,24,25)