N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[(4S)-chroman-4-yl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-[(4S)-chroman-4-yl]-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3CCOC4=CC=CC=C34

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N[C@H]3CCOC4=CC=CC=C34

InChI

InChI=1S/C18H19N5O3/c1-22-17-13(10-20-22)18(25)23(11-19-17)8-6-16(24)21-14-7-9-26-15-5-3-2-4-12(14)15/h2-5,10-11,14H,6-9H2,1H3,(H,21,24)/t14-/m0/s1