4-azanyl-9-(2-methylpropyl)-N-prop-2-enyl-pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-9-(2-methylpropyl)-N-prop-2-enyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: N-allyl-4-amino-9-isobutyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-(2-methylpropyl)-N-prop-2-enyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-(2-methylpropyl)-N-prop-2-enylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: N-allyl-4-amino-9-isobutyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C18H21N5O MolecularWeight: 323.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2C3=C1N=C(N=C3N)C(=O)NCC=C

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2C3=C1N=C(N=C3N)C(=O)NCC=C

InChI

InChI=1S/C18H21N5O/c1-4-9-20-18(24)16-21-15(19)14-12-7-5-6-8-13(12)23(10-11(2)3)17(14)22-16/h4-8,11H,1,9-10H2,2-3H3,(H,20,24)(H2,19,21,22)