butyl prop-2-enoate; 6-pent-4-enyl-1,3,5-triazine-2,4-diamine; prop-2-enoic acid

Systemtic Name: butyl prop-2-enoate; 6-pent-4-enyl-1,3,5-triazine-2,4-diamine; prop-2-enoic acid Openeye Name: acrylic acid; butyl prop-2-enoate; 6-pent-4-enyl-1,3,5-triazine-2,4-diamine CAS Name: 6-pent-4-enyl-1,3,5-triazine-2,4-diamine; 2-propenoic acid; 2-propenoic acid butyl ester IUPAC Name: butyl prop-2-enoate; 6-pent-4-enyl-1,3,5-triazine-2,4-diamine; prop-2-enoic acid Traditional Name: acrylic acid; acrylic acid butyl ester; (4-amino-6-pent-4-enyl-s-triazin-2-yl)amine Formula: C18H29N5O4 MolecularWeight: 379.45396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=C.C=CCCCC1=NC(=NC(=N1)N)N.C=CC(=O)O

Isomeric SMILES

CCCCOC(=O)C=C.C=CCCCC1=NC(=NC(=N1)N)N.C=CC(=O)O

InChI

InChI=1S/C8H13N5.C7H12O2.C3H4O2/c1-2-3-4-5-6-11-7(9)13-8(10)12-6;1-3-5-6-9-7(8)4-2;1-2-3(4)5/h2H,1,3-5H2,(H4,9,10,11,12,13);4H,2-3,5-6H2,1H3;2H,1H2,(H,4,5)