[2-[(2-azanylpyrimidin-4-yl)carbonyl-propyl-amino]-2-piperidin-1-yl-ethyl] N-[(5-methyl-2-propan-2-yl-phenoxy)methyl]carbamate

Systemtic Name: [2-[(2-azanylpyrimidin-4-yl)carbonyl-propyl-amino]-2-piperidin-1-yl-ethyl] N-[(5-methyl-2-propan-2-yl-phenoxy)methyl]carbamate Openeye Name: [2-[(2-aminopyrimidine-4-carbonyl)-propyl-amino]-2-(1-piperidyl)ethyl] N-[(2-isopropyl-5-methyl-phenoxy)methyl]carbamate CAS Name: N-[(5-methyl-2-propan-2-ylphenoxy)methyl]carbamic acid [2-[[(2-amino-4-pyrimidinyl)-oxomethyl]-propylamino]-2-(1-piperidinyl)ethyl] ester IUPAC Name: [2-[(2-aminopyrimidine-4-carbonyl)-propylamino]-2-piperidin-1-ylethyl] N-[(5-methyl-2-propan-2-ylphenoxy)methyl]carbamate Traditional Name: N-[(2-isopropyl-5-methyl-phenoxy)methyl]carbamic acid [2-[(2-aminopyrimidine-4-carbonyl)-propyl-amino]-2-piperidino-ethyl] ester Formula: C27H40N6O4 MolecularWeight: 512.6443

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(COC(=O)NCOC1=C(C=CC(=C1)C)C(C)C)N2CCCCC2)C(=O)C3=NC(=NC=C3)N

Isomeric SMILES

CCCN(C(COC(=O)NCOC1=C(C=CC(=C1)C)C(C)C)N2CCCCC2)C(=O)C3=NC(=NC=C3)N

InChI

InChI=1S/C27H40N6O4/c1-5-13-33(25(34)22-11-12-29-26(28)31-22)24(32-14-7-6-8-15-32)17-36-27(35)30-18-37-23-16-20(4)9-10-21(23)19(2)3/h9-12,16,19,24H,5-8,13-15,17-18H2,1-4H3,(H,30,35)(H2,28,29,31)