8-[bis(prop-2-enyl)carbamoyl]-5H-pyrimido[5,4-b]indole-2-carboxylic acid

Systemtic Name: 8-[bis(prop-2-enyl)carbamoyl]-5H-pyrimido[5,4-b]indole-2-carboxylic acid Openeye Name: 8-(diallylcarbamoyl)-5H-pyrimido[5,4-b]indole-2-carboxylic acid CAS Name: 8-[[bis(prop-2-enyl)amino]-oxomethyl]-5H-pyrimido[5,4-b]indole-2-carboxylic acid IUPAC Name: 8-[bis(prop-2-enyl)carbamoyl]-5H-pyrimido[5,4-b]indole-2-carboxylic acid Traditional Name: 8-(diallylcarbamoyl)-5H-pyrimid[5,4-b]indole-2-carboxylic acid Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C(=O)C1=CC2=C(C=C1)NC3=CN=C(N=C23)C(=O)O

Isomeric SMILES

C=CCN(CC=C)C(=O)C1=CC2=C(C=C1)NC3=CN=C(N=C23)C(=O)O

InChI

InChI=1S/C18H16N4O3/c1-3-7-22(8-4-2)17(23)11-5-6-13-12(9-11)15-14(20-13)10-19-16(21-15)18(24)25/h3-6,9-10,20H,1-2,7-8H2,(H,24,25)