N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-(5-methyl-1-propyl-pyrazol-4-yl)pyrimidin-2-amine

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-(5-methyl-1-propyl-pyrazol-4-yl)pyrimidin-2-amine Openeye Name: N-(isochroman-1-ylmethyl)-4-(5-methyl-1-propyl-pyrazol-4-yl)pyrimidin-2-amine CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-4-(5-methyl-1-propyl-4-pyrazolyl)-2-pyrimidinamine IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine Traditional Name: isochroman-1-ylmethyl-[4-(5-methyl-1-propyl-pyrazol-4-yl)pyrimidin-2-yl]amine Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C2=NC(=NC=C2)NCC3C4=CC=CC=C4CCO3)C

Isomeric SMILES

CCCN1C(=C(C=N1)C2=NC(=NC=C2)NCC3C4=CC=CC=C4CCO3)C

InChI

InChI=1S/C21H25N5O/c1-3-11-26-15(2)18(13-24-26)19-8-10-22-21(25-19)23-14-20-17-7-5-4-6-16(17)9-12-27-20/h4-8,10,13,20H,3,9,11-12,14H2,1-2H3,(H,22,23,25)