[2-[2-azanyl-5-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5-methoxy-4-propyl-phenyl] ethanoate

Systemtic Name: [2-[2-azanyl-5-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5-methoxy-4-propyl-phenyl] ethanoate Openeye Name: [2-[2-amino-5-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5-methoxy-4-propyl-phenyl] acetate CAS Name: acetic acid [2-[2-amino-5-(1,3-benzodioxol-5-yl)-4-pyrimidinyl]-5-methoxy-4-propylphenyl] ester IUPAC Name: [2-[2-amino-5-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenyl] acetate Traditional Name: acetic acid [2-[2-amino-5-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5-methoxy-4-propyl-phenyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C2=NC(=NC=C2C3=CC4=C(C=C3)OCO4)N)OC(=O)C)OC

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C2=NC(=NC=C2C3=CC4=C(C=C3)OCO4)N)OC(=O)C)OC

InChI

InChI=1S/C23H23N3O5/c1-4-5-15-8-16(20(31-13(2)27)10-19(15)28-3)22-17(11-25-23(24)26-22)14-6-7-18-21(9-14)30-12-29-18/h6-11H,4-5,12H2,1-3H3,(H2,24,25,26)