N-(4-ethoxy-2-methyl-5-propan-2-yl-phenyl)-2-[4-(1,2,3,4-tetrazol-2-yl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(4-ethoxy-2-methyl-5-propan-2-yl-phenyl)-2-[4-(1,2,3,4-tetrazol-2-yl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: N-(4-ethoxy-5-isopropyl-2-methyl-phenyl)-2-[4-(tetrazol-2-yl)-1-piperidyl]pyrimidin-4-amine CAS Name: N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-[4-(2-tetrazolyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: N-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-[4-(tetrazol-2-yl)piperidin-1-yl]pyrimidin-4-amine Traditional Name: (4-ethoxy-5-isopropyl-2-methyl-phenyl)-[2-[4-(tetrazol-2-yl)piperidino]pyrimidin-4-yl]amine Formula: C22H30N8O MolecularWeight: 422.5266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(C)C)NC2=NC(=NC=C2)N3CCC(CC3)N4N=CN=N4)C

Isomeric SMILES

CCOC1=CC(=C(C=C1C(C)C)NC2=NC(=NC=C2)N3CCC(CC3)N4N=CN=N4)C

InChI

InChI=1S/C22H30N8O/c1-5-31-20-12-16(4)19(13-18(20)15(2)3)26-21-6-9-23-22(27-21)29-10-7-17(8-11-29)30-25-14-24-28-30/h6,9,12-15,17H,5,7-8,10-11H2,1-4H3,(H,23,26,27)