4-[[[4-(3-methyl-1-propyl-pyrazol-4-yl)pyrimidin-2-yl]amino]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[[4-(3-methyl-1-propyl-pyrazol-4-yl)pyrimidin-2-yl]amino]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[[4-(3-methyl-1-propyl-pyrazol-4-yl)pyrimidin-2-yl]amino]methyl]-2H-phthalazin-1-one CAS Name: 4-[[[4-(3-methyl-1-propyl-4-pyrazolyl)-2-pyrimidinyl]amino]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[[4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[[4-(3-methyl-1-propyl-pyrazol-4-yl)pyrimidin-2-yl]amino]methyl]-2H-phthalazin-1-one Formula: C20H21N7O MolecularWeight: 375.42704

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C2=NC(=NC=C2)NCC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCCN1C=C(C(=N1)C)C2=NC(=NC=C2)NCC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H21N7O/c1-3-10-27-12-16(13(2)26-27)17-8-9-21-20(23-17)22-11-18-14-6-4-5-7-15(14)19(28)25-24-18/h4-9,12H,3,10-11H2,1-2H3,(H,25,28)(H,21,22,23)