3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=C(C=C3)NC(=O)NCC=C

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=C(C=C3)NC(=O)NCC=C

InChI

InChI=1S/C19H21N7O3/c1-3-9-20-19(29)24-14-6-4-13(5-7-14)23-16(27)8-10-26-12-21-17-15(18(26)28)11-22-25(17)2/h3-7,11-12H,1,8-10H2,2H3,(H,23,27)(H2,20,24,29)