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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-(3-methyl-1-propyl-pyrazol-4-yl)pyrimidin-2-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-(3-methyl-1-propyl-pyrazol-4-yl)pyrimidin-2-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-(3-methyl-1-propyl-4-pyrazolyl)-2-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-5-ylmethyl-[4-(3-methyl-1-propyl-pyrazol-4-yl)pyrimidin-2-yl]amine Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C2=NC(=NC=C2)NCC3=C4C(=CC=C3)OCCO4

Isomeric SMILES

CCCN1C=C(C(=N1)C)C2=NC(=NC=C2)NCC3=C4C(=CC=C3)OCCO4

InChI

InChI=1S/C20H23N5O2/c1-3-9-25-13-16(14(2)24-25)17-7-8-21-20(23-17)22-12-15-5-4-6-18-19(15)27-11-10-26-18/h4-8,13H,3,9-12H2,1-2H3,(H,21,22,23)