N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzoxazol-2-ylamino)-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzoxazol-2-ylamino)-4-methyl-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzoxazol-2-ylamino)-4-methyl-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzoxazol-2-ylamino)-4-methyl-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzoxazol-2-ylamino)-4-methylpyrimidine-5-carboxamide Traditional Name: 2-(1,3-benzoxazol-2-ylamino)-4-methyl-N-piperonyl-pyrimidine-5-carboxamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)NC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)NC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H17N5O4/c1-12-14(19(27)22-9-13-6-7-17-18(8-13)29-11-28-17)10-23-20(24-12)26-21-25-15-4-2-3-5-16(15)30-21/h2-8,10H,9,11H2,1H3,(H,22,27)(H,23,24,25,26)