5-(1,3-benzodioxol-5-ylmethyl)-7-[(prop-2-enylamino)methyl]-1H-pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-7-[(prop-2-enylamino)methyl]-1H-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 7-[(allylamino)methyl]-5-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-7-[(prop-2-enylamino)methyl]-1H-pyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-7-[(prop-2-enylamino)methyl]-1H-pyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 7-[(allylamino)methyl]-5-piperonyl-1H-pyrrolo[3,2-d]pyrimidin-4-one Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC1=CN(C2=C1NC=NC2=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=CCNCC1=CN(C2=C1NC=NC2=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N4O3/c1-2-5-19-7-13-9-22(17-16(13)20-10-21-18(17)23)8-12-3-4-14-15(6-12)25-11-24-14/h2-4,6,9-10,19H,1,5,7-8,11H2,(H,20,21,23)