4-oxidanylidene-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]chromene-2-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]chromene-2-carboxamide Openeye Name: 4-oxo-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]chromene-2-carboxamide CAS Name: 4-oxo-N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-benzopyran-2-carboxamide IUPAC Name: 4-oxo-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]chromene-2-carboxamide Traditional Name: 4-keto-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]chromene-2-carboxamide Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC(=O)C5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC(=O)C5=CC=CC=C5O4

InChI

InChI=1S/C25H22N6O3/c32-20-14-22(34-21-9-5-4-8-18(20)21)25(33)27-12-13-31-24-19(15-30-31)23(28-16-29-24)26-11-10-17-6-2-1-3-7-17/h1-9,14-16H,10-13H2,(H,27,33)(H,26,28,29)